ChemSpider 2D Image | {trans-2-[4-{2-[(Cyclopropylmethyl)amino]-4-pyrimidinyl}-5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-methyl-1-piperazinyl)methanone | C28H34FN7O3

{trans-2-[4-{2-[(Cyclopropylmethyl)amino]-4-pyrimidinyl}-5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-methyl-1-piperazinyl)methanone

  • Molecular FormulaC28H34FN7O3
  • Average mass535.613 Da
  • Monoisotopic mass535.270691 Da
  • ChemSpider ID21255861
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{trans-2-[4-{2-[(Cyclopropylmethyl)amino]-4-pyrimidinyl}-5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-methyl-1-piperazinyl)methanone [ACD/IUPAC Name]
{trans-2-[4-{2-[(Cyclopropylméthyl)amino]-4-pyrimidinyl}-5-(4-fluorophényl)-1H-imidazol-2-yl]-5-méthyl-1,3-dioxan-5-yl}(4-méthyl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
{trans-2-[4-{2-[(Cyclopropylmethyl)amino]-4-pyrimidinyl}-5-(4-fluorphenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-methyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
{trans-2-[5-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl}(4-methylpiperazin-1-yl)methanone
Methanone, [trans-2-[4-[2-[(cyclopropylmethyl)amino]-4-pyrimidinyl]-5-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl](4-methyl-1-piperazinyl)- [ACD/Index Name]
{2-[5-[2-(Cyclopropylmethyl-amino)-pyrimidin-4-yl]-4-(4-fluoro-phenyl)-1H-imidazol-2-yl]-5-methyl-[1,3]dioxan-5-yl}-(4-methyl-piperazin-1-yl)-methanone(RPR238677)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 773.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 421.3±35.7 °C
Index of Refraction: 1.617
Molar Refractivity: 142.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 6.75
ACD/KOC (pH 5.5): 59.15
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 92.56
ACD/KOC (pH 7.4): 811.10
Polar Surface Area: 109 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 59.1±3.0 dyne/cm
Molar Volume: 408.5±3.0 cm3

Click to predict properties on the Chemicalize site






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